N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)piazthiole-5-carboxamide Formula: C22H18N4O3S2 MolecularWeight: 450.53332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC4=NSN=C4C=C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC4=NSN=C4C=C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H18N4O3S2/c27-22(16-7-9-20-21(13-16)25-30-24-20)23-18-8-6-15-10-11-26(14-17(15)12-18)31(28,29)19-4-2-1-3-5-19/h1-9,12-13H,10-11,14H2,(H,23,27)